| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3350339
Max Phase: Preclinical
Molecular Formula: C14H24ClNO2
Molecular Weight: 237.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc(OC)c(C[C@@H](N)CC)cc1OC.Cl
Standard InChI: InChI=1S/C14H23NO2.ClH/c1-5-10-8-14(17-4)11(7-12(15)6-2)9-13(10)16-3;/h8-9,12H,5-7,15H2,1-4H3;1H/t12-;/m0./s1
Standard InChI Key: PYRHVCMHEIGOAR-YDALLXLXSA-N
Associated Targets(non-human)
Felis catus 3858 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 237.34 | Molecular Weight (Monoisotopic): 237.1729 | AlogP: 2.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 44.48 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.97 | CX LogP: 2.97 | CX LogD: 0.53 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.83 | Np Likeness Score: 0.16 |
References
| 1. Standridge RT, Howell HG, Tilson HA, Chamberlain JH, Holava HM, Gylys JA, Partyka RA, Shulgin AT.. (1980) Phenylalkylamines with potential psychotherapeutic utility. 2. Nuclear substituted 2-amino-1-phenylbutanes., 23 (2): [PMID:7359529] [10.1021/jm00176a010] |
Source
Source(1):